LAMMPS (24 Dec 2020)
  using 1 OpenMP thread(s) per MPI task

processors * * 1
units metal
boundary p p f
read_data adatom.data
Reading data file ...
  orthogonal box = (0.0000000 0.0000000 0.0000000) to (17.121441 14.827603 39.319732)
  2 by 2 by 1 MPI processor grid
  reading atoms ...
  181 atoms
  read_data CPU = 0.001 seconds

pair_style agni
pair_coeff * * Al_jpc.agni Al
Reading agni potential file Al_jpc.agni with DATE: 2017-02-24
WARNING: Ignoring unknown tag 'Rs' in AGNI potential file. (src/USER-MISC/pair_agni.cpp:440)
WARNING: Ignoring unknown tag 'neighbors' in AGNI potential file. (src/USER-MISC/pair_agni.cpp:440)
WARNING: Ignoring unknown tag 'lambda' in AGNI potential file. (src/USER-MISC/pair_agni.cpp:440)

neighbor 0.3 bin
neigh_modify delay 2 check yes

timestep 0.0005
velocity all create 500 12345
fix 1 all nvt temp 250 250 0.2
fix 5 all momentum 1 linear 1 1 1

thermo 100
thermo_style custom step ke temp

# dump MyDump all custom 250 dump.atoms id type x y z vx vy vz fx fy fz

run 1000
Neighbor list info ...
  update every 1 steps, delay 2 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.3
  ghost atom cutoff = 8.3
  binsize = 4.15, bins = 5 4 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair agni, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.063 | 3.063 | 3.063 Mbytes
Step KinEng Temp 
       0    11.633413          500 
     100    4.6059939      197.964 
     200    7.3700154    316.76067 
     300    6.0443914    259.78582 
     400    6.1631193     264.8887 
     500    6.2647281    269.25581 
     600     5.273254     226.6426 
     700    5.6514484    242.89726 
     800    6.5572409    281.82791 
     900    6.0576737    260.35668 
    1000    6.5622233    282.04205 
Loop time of 4.67437 on 4 procs for 1000 steps with 181 atoms

Performance: 9.242 ns/day, 2.597 hours/ns, 213.933 timesteps/s
98.5% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 4.0668     | 4.2058     | 4.4078     |   7.1 | 89.98
Neigh   | 0.0033048  | 0.0033794  | 0.0034381  |   0.1 |  0.07
Comm    | 0.2547     | 0.45656    | 0.59576    |  21.5 |  9.77
Output  | 9.8817e-05 | 0.00035464 | 0.001121   |   0.0 |  0.01
Modify  | 0.0059429  | 0.0060754  | 0.0061966  |   0.2 |  0.13
Other   |            | 0.002172   |            |       |  0.05

Nlocal:        45.2500 ave          52 max          40 min
Histogram: 1 0 0 1 1 0 0 0 0 1
Nghost:        376.500 ave         382 max         366 min
Histogram: 1 0 0 0 0 0 0 0 2 1
Neighs:         0.00000 ave           0 max           0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
FullNghs:      4871.00 ave        5578 max        4374 min
Histogram: 1 0 1 1 0 0 0 0 0 1

Total # of neighbors = 19484
Ave neighs/atom = 107.64641
Neighbor list builds = 33
Dangerous builds = 0

Please see the log.cite file for references relevant to this simulation

Total wall time: 0:00:04
